CID 18929591

26429-27-6

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CC1C=CN(N1C)C

InChI

InChI=1S/C6H12N2/c1-6-4-5-7(2)8(6)3/h4-6H,1-3H3

InChIKey

SPQYTTFCEGYURN-UHFFFAOYSA-N

Compound name

1,2,3-trimethyl-3H-pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 112.10005 Da
Monoisotopic Mass: 1.1
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]+	113.10733	122.1
[M+Na]+	135.08927	131.6
[M-H]-	111.09277	123.4
[M+NH4]+	130.13387	144.6
[M+K]+	151.06321	131.0
[M+H-H2O]+	95.097310	116.0
[M+HCOO]-	157.09825	144.3
[M+CH3COO]-	171.11390	170.5
[M+Na-2H]-	133.07472	127.1
[M]+	112.09950	122.0
[M]-	112.10060	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe