CID 23090449

(1-methyl-1,4-diazepan-6-yl)methanol

Structural Information

Molecular Formula
C7H16N2O
SMILES
CN1CCNCC(C1)CO
InChI
InChI=1S/C7H16N2O/c1-9-3-2-8-4-7(5-9)6-10/h7-8,10H,2-6H2,1H3
InChIKey
CUIRRVACBQLGDI-UHFFFAOYSA-N
Compound name
(1-methyl-1,4-diazepan-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

144.12627 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 128.8
[M+Na]+ 167.11549 132.3
[M-H]- 143.11899 127.5
[M+NH4]+ 162.16009 144.9
[M+K]+ 183.08943 134.6
[M+H-H2O]+ 127.12353 121.7
[M+HCOO]- 189.12447 143.7
[M+CH3COO]- 203.14012 172.2
[M+Na-2H]- 165.10094 133.1
[M]+ 144.12572 119.9
[M]- 144.12682 119.9
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

patents stripe