CID 57487843

855312-71-9

Structural Information

Molecular Formula
C10H17N
SMILES
CC(CC1=CCC=CC1)NC
InChI
InChI=1S/C10H17N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-4,7,9,11H,5-6,8H2,1-2H3
InChIKey
DIMNLUIMZVXIKS-UHFFFAOYSA-N
Compound name
1-cyclohexa-1,4-dien-1-yl-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

151.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.143376 134.9
[M+Na]+ 174.125318 139.7
[M-H]- 150.128824 137.9
[M+NH4]+ 169.169923 155.6
[M+K]+ 190.099258 138.2
[M+H-H2O]+ 134.133360 128.9
[M+HCOO]- 196.134301 157.7
[M+CH3COO]- 210.149951 180.4
[M+Na-2H]- 172.110766 140.6
[M]+ 151.13555142 132.3
[M]- 151.13664858 132.3
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

No patent data available for this compound.