CID 20716098

2-methylpropyl 1,4-diazepane-1-carboxylate

Structural Information

Molecular Formula
C10H20N2O2
SMILES
CC(C)COC(=O)N1CCCNCC1
InChI
InChI=1S/C10H20N2O2/c1-9(2)8-14-10(13)12-6-3-4-11-5-7-12/h9,11H,3-8H2,1-2H3
InChIKey
ZVOQTQAVQBWFSB-UHFFFAOYSA-N
Compound name
2-methylpropyl 1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

200.15248 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.159756 142.2
[M+Na]+ 223.141698 144.0
[M-H]- 199.145204 141.7
[M+NH4]+ 218.186303 156.5
[M+K]+ 239.115638 147.4
[M+H-H2O]+ 183.149740 134.3
[M+HCOO]- 245.150681 156.3
[M+CH3COO]- 259.166331 183.5
[M+Na-2H]- 221.127146 144.1
[M]+ 200.15193142 135.2
[M]- 200.15302858 135.2
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