CID 16774220

(3-methylbenzyl)hydrazine

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=CC(=CC=C1)CNN

InChI

InChI=1S/C8H12N2/c1-7-3-2-4-8(5-7)6-10-9/h2-5,10H,6,9H2,1H3

InChIKey

LRDZBVAFUXSPGH-UHFFFAOYSA-N

Compound name

(3-methylphenyl)methylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 136.10005 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]+	137.10733	127.2
[M+Na]+	159.08927	134.3
[M-H]-	135.09277	130.7
[M+NH4]+	154.13387	148.4
[M+K]+	175.06321	132.2
[M+H-H2O]+	119.09731	121.4
[M+HCOO]-	181.09825	153.6
[M+CH3COO]-	195.11390	178.4
[M+Na-2H]-	157.07472	134.9
[M]+	136.09950	124.7
[M]-	136.10060	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe