CID 2736550

2-(1,4-diazepan-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C7H16N2O
SMILES
C1CNCCN(C1)CCO
InChI
InChI=1S/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2
InChIKey
IXKNVDAHLCFGCV-UHFFFAOYSA-N
Compound name
2-(1,4-diazepan-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

635
Patents

144.12627 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.133546 128.9
[M+Na]+ 167.115488 131.5
[M-H]- 143.118994 127.2
[M+NH4]+ 162.160093 144.7
[M+K]+ 183.089428 133.7
[M+H-H2O]+ 127.123530 121.5
[M+HCOO]- 189.124471 143.9
[M+CH3COO]- 203.140121 171.1
[M+Na-2H]- 165.100936 133.9
[M]+ 144.12572142 119.7
[M]- 144.12681858 119.7
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