CID 53234188

142253-58-5

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)CC#N
InChI
InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-8(7-12)4-5-11/h8H,4,6-7H2,1-3H3
InChIKey
QRZNHJHKTCPFAO-UHFFFAOYSA-N
Compound name
tert-butyl 3-(cyanomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

196.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.128466 140.9
[M+Na]+ 219.110408 147.3
[M-H]- 195.113914 142.8
[M+NH4]+ 214.155013 151.6
[M+K]+ 235.084348 151.3
[M+H-H2O]+ 179.118450 124.1
[M+HCOO]- 241.119391 155.6
[M+CH3COO]- 255.135041 199.1
[M+Na-2H]- 217.095856 144.4
[M]+ 196.12064142 145.0
[M]- 196.12173858 145.0
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

patents stripe