CID 71757591

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

Structural Information

Molecular Formula
C7H13N3O
SMILES
CCCN1C(=NN=C1CO)C
InChI
InChI=1S/C7H13N3O/c1-3-4-10-6(2)8-9-7(10)5-11/h11H,3-5H2,1-2H3
InChIKey
YHEHJNDTUBEPMU-UHFFFAOYSA-N
Compound name
(5-methyl-4-propyl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.11315 133.5
[M+Na]+ 178.09509 143.2
[M-H]- 154.09859 132.2
[M+NH4]+ 173.13969 152.2
[M+K]+ 194.06903 141.3
[M+H-H2O]+ 138.10313 126.3
[M+HCOO]- 200.10407 154.2
[M+CH3COO]- 214.11972 175.3
[M+Na-2H]- 176.08054 138.3
[M]+ 155.10532 135.2
[M]- 155.10642 135.2
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.