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

134
Patents

158.1419 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 136.3
[M+Na]+ 181.13112 140.4
[M-H]- 157.13462 140.7
[M+NH4]+ 176.17572 157.4
[M+K]+ 197.10506 142.1
[M+H-H2O]+ 141.13916 130.6
[M+HCOO]- 203.14010 158.0
[M+CH3COO]- 217.15575 183.5
[M+Na-2H]- 179.11657 142.8
[M]+ 158.14135 132.6
[M]- 158.14245 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