CID 53415290

Tert-butyl 3-amino-3-cyanoazetidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#N)N
InChI
InChI=1S/C9H15N3O2/c1-8(2,3)14-7(13)12-5-9(11,4-10)6-12/h5-6,11H2,1-3H3
InChIKey
BTLBBSVDHIWMDW-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-cyanoazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

197.11642 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 145.8
[M+Na]+ 220.105638 152.3
[M-H]- 196.109144 147.6
[M+NH4]+ 215.150243 157.5
[M+K]+ 236.079578 156.2
[M+H-H2O]+ 180.113680 129.8
[M+HCOO]- 242.114621 160.9
[M+CH3COO]- 256.130271 199.8
[M+Na-2H]- 218.091086 149.7
[M]+ 197.11587142 148.1
[M]- 197.11696858 148.1
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