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

literature stripe

Patent stripe

patents stripe