CID 21286

Benzenemethanamine, 2-chloro-n-methyl-n-2-propynyl-, hydrochloride

Structural Information

Molecular Formula
C11H12ClN
SMILES
CN(CC#C)CC1=CC=CC=C1Cl
InChI
InChI=1S/C11H12ClN/c1-3-8-13(2)9-10-6-4-5-7-11(10)12/h1,4-7H,8-9H2,2H3
InChIKey
MHSYOEXUHOXGIY-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-N-methylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

193.06583 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.07311 142.0
[M+Na]+ 216.05505 152.5
[M-H]- 192.05855 145.2
[M+NH4]+ 211.09965 160.7
[M+K]+ 232.02899 147.3
[M+H-H2O]+ 176.06309 130.8
[M+HCOO]- 238.06403 157.5
[M+CH3COO]- 252.07968 196.4
[M+Na-2H]- 214.04050 146.6
[M]+ 193.06528 139.2
[M]- 193.06638 139.2
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.