CID 10313138

(4as,7as)-octahydro-1h-pyrrolo[3,4-b]pyridine

Structural Information

Molecular Formula
C7H14N2
SMILES
C1C[C@H]2CNC[C@H]2NC1
InChI
InChI=1S/C7H14N2/c1-2-6-4-8-5-7(6)9-3-1/h6-9H,1-5H2/t6-,7+/m0/s1
InChIKey
KSCPLKVBWDOSAI-NKWVEPMBSA-N
Compound name
(4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

509
Patents

126.1157 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.12298 128.8
[M+Na]+ 149.10492 133.4
[M-H]- 125.10842 126.5
[M+NH4]+ 144.14952 149.2
[M+K]+ 165.07886 130.4
[M+H-H2O]+ 109.11296 122.1
[M+HCOO]- 171.11390 143.1
[M+CH3COO]- 185.12955 139.7
[M+Na-2H]- 147.09037 133.3
[M]+ 126.11515 119.0
[M]- 126.11625 119.0
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