CID 2776430

352018-93-0

Structural Information

Molecular Formula

C₇H₁₃N₃

SMILES

CC1=C(C(=NN1C)C)CN

InChI

InChI=1S/C7H13N3/c1-5-7(4-8)6(2)10(3)9-5/h4,8H2,1-3H3

InChIKey

DGVBHLRORWEBLP-UHFFFAOYSA-N

Compound name

(1,3,5-trimethylpyrazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 139.11095 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	140.11823	129.4
[M+Na]+	162.10017	139.6
[M-H]-	138.10367	130.8
[M+NH4]+	157.14477	150.6
[M+K]+	178.07411	137.8
[M+H-H2O]+	122.10821	122.9
[M+HCOO]-	184.10915	153.1
[M+CH3COO]-	198.12480	178.3
[M+Na-2H]-	160.08562	133.4
[M]+	139.11040	129.7
[M]-	139.11150	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe