CID 177798521

Tert-butyl 4-(cyclopropylmethyl)-4-formylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CC2CC2)C=O
InChI
InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-8-6-15(11-17,7-9-16)10-12-4-5-12/h11-12H,4-10H2,1-3H3
InChIKey
SSXLGCAZMYSNSW-UHFFFAOYSA-N
Compound name
tert-butyl 4-(cyclopropylmethyl)-4-formylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 168.3
[M+Na]+ 290.17266 174.5
[M-H]- 266.17616 173.5
[M+NH4]+ 285.21726 180.7
[M+K]+ 306.14660 172.8
[M+H-H2O]+ 250.18070 162.1
[M+HCOO]- 312.18164 183.9
[M+CH3COO]- 326.19729 198.5
[M+Na-2H]- 288.15811 170.8
[M]+ 267.18289 170.3
[M]- 267.18399 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.