CID 421129

94409-18-4

Structural Information

Molecular Formula
C10H18N2O
SMILES
CN1CCC2CCCCN2CC1=O
InChI
InChI=1S/C10H18N2O/c1-11-7-5-9-4-2-3-6-12(9)8-10(11)13/h9H,2-8H2,1H3
InChIKey
NMHUKABQLSIYLC-UHFFFAOYSA-N
Compound name
3-methyl-1,2,5,7,8,9,10,10a-octahydropyrido[1,2-d][1,4]diazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1419 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.14918 137.8
[M+Na]+ 205.13112 141.9
[M-H]- 181.13462 139.7
[M+NH4]+ 200.17572 154.9
[M+K]+ 221.10506 143.5
[M+H-H2O]+ 165.13916 130.4
[M+HCOO]- 227.14010 152.1
[M+CH3COO]- 241.15575 184.1
[M+Na-2H]- 203.11657 142.0
[M]+ 182.14135 129.4
[M]- 182.14245 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.