CID 13667320

Octahydro-1h-pyrrolo[1,2-a][1,4]diazepine

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CC2CNCCCN2C1
InChI
InChI=1S/C8H16N2/c1-3-8-7-9-4-2-6-10(8)5-1/h8-9H,1-7H2
InChIKey
QBNOLQLKVNGFCG-UHFFFAOYSA-N
Compound name
2,3,4,5,7,8,9,9a-octahydro-1H-pyrrolo[1,2-a][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

140.13135 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 129.0
[M+Na]+ 163.12057 132.3
[M-H]- 139.12407 129.4
[M+NH4]+ 158.16517 148.2
[M+K]+ 179.09451 132.9
[M+H-H2O]+ 123.12861 121.6
[M+HCOO]- 185.12955 144.1
[M+CH3COO]- 199.14520 139.7
[M+Na-2H]- 161.10602 133.3
[M]+ 140.13080 118.7
[M]- 140.13190 118.7
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

patents stripe