CID 91666962

1374126-71-2

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)C1CN(CCCN1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H26N2O2/c1-10(2)11-9-15(8-6-7-14-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3
InChIKey
FPTTXMRXODRFFV-UHFFFAOYSA-N
Compound name
tert-butyl 3-propan-2-yl-1,4-diazepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 153.6
[M+Na]+ 265.18865 155.7
[M-H]- 241.19215 153.5
[M+NH4]+ 260.23325 167.0
[M+K]+ 281.16259 159.2
[M+H-H2O]+ 225.19669 146.4
[M+HCOO]- 287.19763 165.4
[M+CH3COO]- 301.21328 192.8
[M+Na-2H]- 263.17410 154.4
[M]+ 242.19888 147.6
[M]- 242.19998 147.6
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.