CID 301972

4-methyl-1-phenylpent-4-en-2-amine

Structural Information

Molecular Formula
C12H17N
SMILES
CC(=C)CC(CC1=CC=CC=C1)N
InChI
InChI=1S/C12H17N/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,12H,1,8-9,13H2,2H3
InChIKey
GGFBBNNMPZFSHF-UHFFFAOYSA-N
Compound name
4-methyl-1-phenylpent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

175.1361 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 142.1
[M+Na]+ 198.12532 147.2
[M-H]- 174.12882 144.7
[M+NH4]+ 193.16992 161.6
[M+K]+ 214.09926 144.5
[M+H-H2O]+ 158.13336 136.0
[M+HCOO]- 220.13430 164.3
[M+CH3COO]- 234.14995 185.4
[M+Na-2H]- 196.11077 145.4
[M]+ 175.13555 139.3
[M]- 175.13665 139.3
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