CID 62389298

1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C10H18N2O2
SMILES
C1CC(C1)(C(=O)O)N2CCCNCC2
InChI
InChI=1S/C10H18N2O2/c13-9(14)10(3-1-4-10)12-7-2-5-11-6-8-12/h11H,1-8H2,(H,13,14)
InChIKey
XPRVSOFSUYEILO-UHFFFAOYSA-N
Compound name
1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 146.1
[M+Na]+ 221.12605 147.1
[M-H]- 197.12955 147.2
[M+NH4]+ 216.17065 155.2
[M+K]+ 237.09999 150.5
[M+H-H2O]+ 181.13409 134.6
[M+HCOO]- 243.13503 157.9
[M+CH3COO]- 257.15068 182.9
[M+Na-2H]- 219.11150 148.6
[M]+ 198.13628 143.9
[M]- 198.13738 143.9
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.