CID 71695279

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

Structural Information

Molecular Formula
C7H11N3O
SMILES
CC1=NN=C(N1C2CC2)CO
InChI
InChI=1S/C7H11N3O/c1-5-8-9-7(4-11)10(5)6-2-3-6/h6,11H,2-4H2,1H3
InChIKey
VXUMQPPXFQVYTM-UHFFFAOYSA-N
Compound name
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.09021 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.097486 139.2
[M+Na]+ 176.079428 150.8
[M-H]- 152.082934 142.0
[M+NH4]+ 171.124033 153.0
[M+K]+ 192.053368 146.7
[M+H-H2O]+ 136.087470 131.4
[M+HCOO]- 198.088411 160.3
[M+CH3COO]- 212.104061 177.4
[M+Na-2H]- 174.064876 143.6
[M]+ 153.08966142 141.8
[M]- 153.09075858 141.8
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