CID 14716541

2-(3-(prop-1-en-2-yl)phenyl)propan-2-amine

Structural Information

Molecular Formula
C12H17N
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)N
InChI
InChI=1S/C12H17N/c1-9(2)10-6-5-7-11(8-10)12(3,4)13/h5-8H,1,13H2,2-4H3
InChIKey
DWDJGSQWSMJSGV-UHFFFAOYSA-N
Compound name
2-(3-prop-1-en-2-ylphenyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

175.1361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 140.4
[M+Na]+ 198.12532 147.2
[M-H]- 174.12882 143.7
[M+NH4]+ 193.16992 160.5
[M+K]+ 214.09926 144.5
[M+H-H2O]+ 158.13336 135.1
[M+HCOO]- 220.13430 162.0
[M+CH3COO]- 234.14995 186.0
[M+Na-2H]- 196.11077 145.0
[M]+ 175.13555 138.2
[M]- 175.13665 138.2
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

patents stripe