CID 118068296

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

Structural Information

Molecular Formula
C8H18N2O
SMILES
CN1CCN(CC(C1)CO)C
InChI
InChI=1S/C8H18N2O/c1-9-3-4-10(2)6-8(5-9)7-11/h8,11H,3-7H2,1-2H3
InChIKey
IPQIMJXMQWJMFZ-UHFFFAOYSA-N
Compound name
(1,4-dimethyl-1,4-diazepan-6-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

158.1419 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 131.6
[M+Na]+ 181.131118 136.0
[M-H]- 157.134624 131.8
[M+NH4]+ 176.175723 148.1
[M+K]+ 197.105058 139.0
[M+H-H2O]+ 141.139160 124.4
[M+HCOO]- 203.140101 147.6
[M+CH3COO]- 217.155751 178.5
[M+Na-2H]- 179.116566 135.3
[M]+ 158.14135142 125.2
[M]- 158.14244858 125.2
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