CID 3145834

Prop-2-ynyl-p-tolyl-amine

Structural Information

Molecular Formula
C10H11N
SMILES
CC1=CC=C(C=C1)NCC#C
InChI
InChI=1S/C10H11N/c1-3-8-11-10-6-4-9(2)5-7-10/h1,4-7,11H,8H2,2H3
InChIKey
NCUNFRDDWNTJOG-UHFFFAOYSA-N
Compound name
4-methyl-N-prop-2-ynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

145.08914 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 132.4
[M+Na]+ 168.07836 142.2
[M-H]- 144.08186 134.6
[M+NH4]+ 163.12296 151.4
[M+K]+ 184.05230 138.1
[M+H-H2O]+ 128.08640 120.9
[M+HCOO]- 190.08734 151.7
[M+CH3COO]- 204.10299 187.1
[M+Na-2H]- 166.06381 138.5
[M]+ 145.08859 126.3
[M]- 145.08969 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe