CID 137964694

2229297-89-4

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CCCC1C2(CC2)C=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-4-5-10(14)13(9-15)6-7-13/h9-10H,4-8H2,1-3H3
InChIKey
IFITVKBEWVTPJH-UHFFFAOYSA-N
Compound name
tert-butyl 2-(1-formylcyclopropyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 158.7
[M+Na]+ 262.14137 166.6
[M-H]- 238.14487 164.6
[M+NH4]+ 257.18597 174.0
[M+K]+ 278.11531 164.8
[M+H-H2O]+ 222.14941 153.6
[M+HCOO]- 284.15035 176.8
[M+CH3COO]- 298.16600 192.4
[M+Na-2H]- 260.12682 161.2
[M]+ 239.15160 162.0
[M]- 239.15270 162.0
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.