CID 23005743

Ethyl[(1-methyl-1h-pyrazol-4-yl)methyl]amine hydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
CCNCC1=CN(N=C1)C
InChI
InChI=1S/C7H13N3/c1-3-8-4-7-5-9-10(2)6-7/h5-6,8H,3-4H2,1-2H3
InChIKey
WODLNVYLYQXAOH-UHFFFAOYSA-N
Compound name
N-[(1-methylpyrazol-4-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

139.11095 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.11823 129.2
[M+Na]+ 162.10017 137.4
[M-H]- 138.10367 130.3
[M+NH4]+ 157.14477 150.0
[M+K]+ 178.07411 136.1
[M+H-H2O]+ 122.10821 122.0
[M+HCOO]- 184.10915 153.5
[M+CH3COO]- 198.12480 176.7
[M+Na-2H]- 160.08562 135.7
[M]+ 139.11040 129.7
[M]- 139.11150 129.7
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