CID 10820849

176445-80-0

Structural Information

Molecular Formula
C8H18N2O
SMILES
CN(C)C1(CCOCC1)CN
InChI
InChI=1S/C8H18N2O/c1-10(2)8(7-9)3-5-11-6-4-8/h3-7,9H2,1-2H3
InChIKey
KCLFWPREWYWLTP-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N,N-dimethyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

158.1419 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 136.3
[M+Na]+ 181.131118 140.4
[M-H]- 157.134624 140.7
[M+NH4]+ 176.175723 157.4
[M+K]+ 197.105058 142.1
[M+H-H2O]+ 141.139160 130.6
[M+HCOO]- 203.140101 158.0
[M+CH3COO]- 217.155751 183.5
[M+Na-2H]- 179.116566 142.8
[M]+ 158.14135142 132.6
[M]- 158.14244858 132.6
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