CID 12210937

2411261-00-0

Structural Information

Molecular Formula
C9H15N
SMILES
C1CCC2=C(C1)CCNC2
InChI
InChI=1S/C9H15N/c1-2-4-9-7-10-6-5-8(9)3-1/h10H,1-7H2
InChIKey
YBYCJQQRZPXLHU-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

137.12045 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 129.6
[M+Na]+ 160.10967 133.9
[M-H]- 136.11317 130.0
[M+NH4]+ 155.15427 149.9
[M+K]+ 176.08361 131.0
[M+H-H2O]+ 120.11771 123.2
[M+HCOO]- 182.11865 145.5
[M+CH3COO]- 196.13430 141.0
[M+Na-2H]- 158.09512 136.5
[M]+ 137.11990 121.1
[M]- 137.12100 121.1
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