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]+ 176.143376 142.1
[M+Na]+ 198.125318 147.2
[M-H]- 174.128824 144.7
[M+NH4]+ 193.169923 161.6
[M+K]+ 214.099258 144.5
[M+H-H2O]+ 158.133360 136.0
[M+HCOO]- 220.134301 164.3
[M+CH3COO]- 234.149951 185.4
[M+Na-2H]- 196.110766 145.4
[M]+ 175.13555142 139.3
[M]- 175.13664858 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