CID 130067982

1374653-62-9

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CN)C#N
InChI
InChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4,6-7,11H2,1-3H3
InChIKey
MNZBPGHOGCTODW-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-cyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13208 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 149.8
[M+Na]+ 234.12130 155.9
[M-H]- 210.12480 151.4
[M+NH4]+ 229.16590 161.0
[M+K]+ 250.09524 159.5
[M+H-H2O]+ 194.12934 133.5
[M+HCOO]- 256.13028 164.5
[M+CH3COO]- 270.14593 202.4
[M+Na-2H]- 232.10675 153.2
[M]+ 211.13153 152.3
[M]- 211.13263 152.3
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.