CID 121208766

2137640-21-0

Structural Information

Molecular Formula
C11H19N5O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2C=C(N=N2)CN
InChI
InChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)15-6-9(7-15)16-5-8(4-12)13-14-16/h5,9H,4,6-7,12H2,1-3H3
InChIKey
QOLBDEAYVPNJBI-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(aminomethyl)triazol-1-yl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15387 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16115 163.3
[M+Na]+ 276.14309 168.7
[M-H]- 252.14659 164.3
[M+NH4]+ 271.18769 169.9
[M+K]+ 292.11703 170.2
[M+H-H2O]+ 236.15113 148.9
[M+HCOO]- 298.15207 179.0
[M+CH3COO]- 312.16772 198.6
[M+Na-2H]- 274.12854 164.4
[M]+ 253.15332 171.7
[M]- 253.15442 171.7
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.