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

116
Patents

175.1361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 140.4
[M+Na]+ 198.125318 147.2
[M-H]- 174.128824 143.7
[M+NH4]+ 193.169923 160.5
[M+K]+ 214.099258 144.5
[M+H-H2O]+ 158.133360 135.1
[M+HCOO]- 220.134301 162.0
[M+CH3COO]- 234.149951 186.0
[M+Na-2H]- 196.110766 145.0
[M]+ 175.13555142 138.2
[M]- 175.13664858 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