CID 155819961

2542562-36-5

Structural Information

Molecular Formula
C10H19N5O2
SMILES
CC(C)(C)OC(=O)NCC1=CN(N=N1)CCN
InChI
InChI=1S/C10H19N5O2/c1-10(2,3)17-9(16)12-6-8-7-15(5-4-11)14-13-8/h7H,4-6,11H2,1-3H3,(H,12,16)
InChIKey
OIDJVBRLDGBKTB-UHFFFAOYSA-N
Compound name
tert-butyl N-[[1-(2-aminoethyl)triazol-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.15387 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.16115 157.5
[M+Na]+ 264.14309 164.0
[M-H]- 240.14659 157.0
[M+NH4]+ 259.18769 172.3
[M+K]+ 280.11703 162.8
[M+H-H2O]+ 224.15113 149.1
[M+HCOO]- 286.15207 178.0
[M+CH3COO]- 300.16772 195.4
[M+Na-2H]- 262.12854 161.6
[M]+ 241.15332 158.5
[M]- 241.15442 158.5
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.