CID 200718

(1-phenylpropan-2-yl)(prop-2-yn-1-yl)amine

Structural Information

Molecular Formula
C12H15N
SMILES
CC(CC1=CC=CC=C1)NCC#C
InChI
InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3
InChIKey
UUFAJPMQSFXDFR-UHFFFAOYSA-N
Compound name
1-phenyl-N-prop-2-ynylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

62
References

373
Patents

173.12045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.12773 142.3
[M+Na]+ 196.10967 150.3
[M-H]- 172.11317 143.9
[M+NH4]+ 191.15427 159.9
[M+K]+ 212.08361 145.9
[M+H-H2O]+ 156.11771 130.1
[M+HCOO]- 218.11865 160.1
[M+CH3COO]- 232.13430 192.3
[M+Na-2H]- 194.09512 146.8
[M]+ 173.11990 135.9
[M]- 173.12100 135.9
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