CID 22938629

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

Structural Information

Molecular Formula
C6H11N3O
SMILES
CCCN1C=NN=C1CO
InChI
InChI=1S/C6H11N3O/c1-2-3-9-5-7-8-6(9)4-10/h5,10H,2-4H2,1H3
InChIKey
ZPUGMHPXVOHOAZ-UHFFFAOYSA-N
Compound name
(4-propyl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

141.09021 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 129.0
[M+Na]+ 164.07943 138.2
[M-H]- 140.08293 127.5
[M+NH4]+ 159.12403 148.0
[M+K]+ 180.05337 136.7
[M+H-H2O]+ 124.08747 121.6
[M+HCOO]- 186.08841 150.1
[M+CH3COO]- 200.10406 171.2
[M+Na-2H]- 162.06488 135.0
[M]+ 141.08966 130.0
[M]- 141.09076 130.0
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