CID 53392200

1312131-48-8

Structural Information

Molecular Formula
C12H20ClNO3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(CCl)C=O
InChI
InChI=1S/C12H20ClNO3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-15)5-7-14/h9H,4-8H2,1-3H3
InChIKey
VPOBZXCLXJPHPH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(chloromethyl)-4-formylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

261.11316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12044 157.6
[M+Na]+ 284.10238 164.2
[M-H]- 260.10588 159.3
[M+NH4]+ 279.14698 176.2
[M+K]+ 300.07632 161.9
[M+H-H2O]+ 244.11042 153.1
[M+HCOO]- 306.11136 169.7
[M+CH3COO]- 320.12701 192.1
[M+Na-2H]- 282.08783 161.4
[M]+ 261.11261 159.2
[M]- 261.11371 159.2
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

patents stripe