CID 24695936

(4-ethyl-4h-1,2,4-triazol-3-yl)methanamine

Structural Information

Molecular Formula
C5H10N4
SMILES
CCN1C=NN=C1CN
InChI
InChI=1S/C5H10N4/c1-2-9-4-7-8-5(9)3-6/h4H,2-3,6H2,1H3
InChIKey
OTANTFOQCVGSJL-UHFFFAOYSA-N
Compound name
(4-ethyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

126.090546 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 124.9
[M+Na]+ 149.07976 134.1
[M-H]- 125.08327 124.4
[M+NH4]+ 144.12437 144.6
[M+K]+ 165.05370 132.8
[M+H-H2O]+ 109.08781 117.2
[M+HCOO]- 171.08875 148.0
[M+CH3COO]- 185.10440 172.9
[M+Na-2H]- 147.06521 131.4
[M]+ 126.09000 124.2
[M]- 126.09109 124.2
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

patents stripe