CID 122163612

(1s)-1-(1-methyl-1h-1,2,3-triazol-5-yl)ethan-1-amine

Structural Information

Molecular Formula
C5H10N4
SMILES
C[C@H](C1=CN=NN1C)N
InChI
InChI=1S/C5H10N4/c1-4(6)5-3-7-8-9(5)2/h3-4H,6H2,1-2H3/t4-/m1/s1
InChIKey
AERFFVLJKPEURK-SCSAIBSYSA-N
Compound name
(1R)-1-(3-methyltriazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.090546 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 125.5
[M+Na]+ 149.07976 134.5
[M-H]- 125.08327 125.2
[M+NH4]+ 144.12437 145.2
[M+K]+ 165.05370 133.6
[M+H-H2O]+ 109.08781 117.9
[M+HCOO]- 171.08875 147.6
[M+CH3COO]- 185.10440 173.7
[M+Na-2H]- 147.06521 130.8
[M]+ 126.09000 124.3
[M]- 126.09109 124.3
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.