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]+ 243.206706 153.6
[M+Na]+ 265.188648 155.7
[M-H]- 241.192154 153.5
[M+NH4]+ 260.233253 167.0
[M+K]+ 281.162588 159.2
[M+H-H2O]+ 225.196690 146.4
[M+HCOO]- 287.197631 165.4
[M+CH3COO]- 301.213281 192.8
[M+Na-2H]- 263.174096 154.4
[M]+ 242.19888142 147.6
[M]- 242.19997858 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.