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]+ 159.14918 131.6
[M+Na]+ 181.13112 136.0
[M-H]- 157.13462 131.8
[M+NH4]+ 176.17572 148.1
[M+K]+ 197.10506 139.0
[M+H-H2O]+ 141.13916 124.4
[M+HCOO]- 203.14010 147.6
[M+CH3COO]- 217.15575 178.5
[M+Na-2H]- 179.11657 135.3
[M]+ 158.14135 125.2
[M]- 158.14245 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