CID 10313138

151213-40-0

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

439
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 128.5
[M+Na]+ 149.10492 137.6
[M+NH4]+ 144.14952 137.4
[M+K]+ 165.07886 133.5
[M-H]- 125.10842 128.7
[M+Na-2H]- 147.09037 131.5
[M]+ 126.11515 129.4
[M]- 126.11625 129.4
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