CID 139014746

2344677-89-8

Structural Information

Molecular Formula
C13H19N
SMILES
CC1CCC(CC2=CC=CC=C12)CN
InChI
InChI=1S/C13H19N/c1-10-6-7-11(9-14)8-12-4-2-3-5-13(10)12/h2-5,10-11H,6-9,14H2,1H3
InChIKey
NYZPLQVXAUOUCC-UHFFFAOYSA-N
Compound name
(9-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 140.0
[M+Na]+ 212.14097 144.7
[M-H]- 188.14447 144.8
[M+NH4]+ 207.18557 159.3
[M+K]+ 228.11491 145.5
[M+H-H2O]+ 172.14901 135.4
[M+HCOO]- 234.14995 160.1
[M+CH3COO]- 248.16560 152.0
[M+Na-2H]- 210.12642 145.1
[M]+ 189.15120 133.5
[M]- 189.15230 133.5
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

No patent data available for this compound.