CID 2748766

(5-amino-1-benzyl-1h-1,2,3-triazol-4-yl)methanol

Structural Information

Molecular Formula
C10H12N4O
SMILES
C1=CC=C(C=C1)CN2C(=C(N=N2)CO)N
InChI
InChI=1S/C10H12N4O/c11-10-9(7-15)12-13-14(10)6-8-4-2-1-3-5-8/h1-5,15H,6-7,11H2
InChIKey
KCUOBXZHGALTCC-UHFFFAOYSA-N
Compound name
(5-amino-1-benzyltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1011 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.108376 143.8
[M+Na]+ 227.090318 152.6
[M-H]- 203.093824 145.4
[M+NH4]+ 222.134923 159.4
[M+K]+ 243.064258 148.6
[M+H-H2O]+ 187.098360 135.0
[M+HCOO]- 249.099301 165.5
[M+CH3COO]- 263.114951 184.1
[M+Na-2H]- 225.075766 149.0
[M]+ 204.10055142 142.4
[M]- 204.10164858 142.4
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.