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]+ 212.139356 149.8
[M+Na]+ 234.121298 155.9
[M-H]- 210.124804 151.4
[M+NH4]+ 229.165903 161.0
[M+K]+ 250.095238 159.5
[M+H-H2O]+ 194.129340 133.5
[M+HCOO]- 256.130281 164.5
[M+CH3COO]- 270.145931 202.4
[M+Na-2H]- 232.106746 153.2
[M]+ 211.13153142 152.3
[M]- 211.13262858 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.