CID 62409987

6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane

Structural Information

Molecular Formula
C10H20N2
SMILES
CC1CC1N2CCNCC(C2)C
InChI
InChI=1S/C10H20N2/c1-8-6-11-3-4-12(7-8)10-5-9(10)2/h8-11H,3-7H2,1-2H3
InChIKey
PCVJSECWGNSVQE-UHFFFAOYSA-N
Compound name
6-methyl-1-(2-methylcyclopropyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.16264 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.16992 136.3
[M+Na]+ 191.15186 141.5
[M-H]- 167.15536 140.0
[M+NH4]+ 186.19646 147.8
[M+K]+ 207.12580 142.3
[M+H-H2O]+ 151.15990 128.2
[M+HCOO]- 213.16084 152.2
[M+CH3COO]- 227.17649 184.3
[M+Na-2H]- 189.13731 139.3
[M]+ 168.16209 130.4
[M]- 168.16319 130.4
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.