CID 11651290

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

Structural Information

Molecular Formula
C10H11N3O
SMILES
C1=CC=C(C=C1)CN2C=C(N=N2)CO
InChI
InChI=1S/C10H11N3O/c14-8-10-7-13(12-11-10)6-9-4-2-1-3-5-9/h1-5,7,14H,6,8H2
InChIKey
SXNXKULRKDCYLM-UHFFFAOYSA-N
Compound name
(1-benzyltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

66
Patents

189.09021 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.7
[M+Na]+ 212.07943 148.5
[M-H]- 188.08293 141.3
[M+NH4]+ 207.12403 156.3
[M+K]+ 228.05337 145.0
[M+H-H2O]+ 172.08747 131.0
[M+HCOO]- 234.08841 161.0
[M+CH3COO]- 248.10406 152.3
[M+Na-2H]- 210.06488 146.1
[M]+ 189.08966 139.6
[M]- 189.09076 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe