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]+ 201.15976 142.2
[M+Na]+ 223.14170 144.0
[M-H]- 199.14520 141.7
[M+NH4]+ 218.18630 156.5
[M+K]+ 239.11564 147.4
[M+H-H2O]+ 183.14974 134.3
[M+HCOO]- 245.15068 156.3
[M+CH3COO]- 259.16633 183.5
[M+Na-2H]- 221.12715 144.1
[M]+ 200.15193 135.2
[M]- 200.15303 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