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]+ 142.097486 129.0
[M+Na]+ 164.079428 138.2
[M-H]- 140.082934 127.5
[M+NH4]+ 159.124033 148.0
[M+K]+ 180.053368 136.7
[M+H-H2O]+ 124.087470 121.6
[M+HCOO]- 186.088411 150.1
[M+CH3COO]- 200.104061 171.2
[M+Na-2H]- 162.064876 135.0
[M]+ 141.08966142 130.0
[M]- 141.09075858 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