CID 53415290

At51556

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]+ 198.12370 145.8
[M+Na]+ 220.10564 152.3
[M-H]- 196.10914 147.6
[M+NH4]+ 215.15024 157.5
[M+K]+ 236.07958 156.2
[M+H-H2O]+ 180.11368 129.8
[M+HCOO]- 242.11462 160.9
[M+CH3COO]- 256.13027 199.8
[M+Na-2H]- 218.09109 149.7
[M]+ 197.11587 148.1
[M]- 197.11697 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