CID 13971783

1-phenylhex-5-en-1-amine

Structural Information

Molecular Formula
C12H17N
SMILES
C=CCCCC(C1=CC=CC=C1)N
InChI
InChI=1S/C12H17N/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h2,4,6-9,12H,1,3,5,10,13H2
InChIKey
OUTQDPHJAFRQDM-UHFFFAOYSA-N
Compound name
1-phenylhex-5-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 141.6
[M+Na]+ 198.125318 146.9
[M-H]- 174.128824 144.1
[M+NH4]+ 193.169923 161.1
[M+K]+ 214.099258 143.7
[M+H-H2O]+ 158.133360 135.3
[M+HCOO]- 220.134301 164.8
[M+CH3COO]- 234.149951 184.5
[M+Na-2H]- 196.110766 146.2
[M]+ 175.13555142 139.5
[M]- 175.13664858 139.5
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