CID 45792518

(cyclopropylmethyl)(2,2-dimethoxyethyl)amine

Structural Information

Molecular Formula
C8H17NO2
SMILES
COC(CNCC1CC1)OC
InChI
InChI=1S/C8H17NO2/c1-10-8(11-2)6-9-5-7-3-4-7/h7-9H,3-6H2,1-2H3
InChIKey
NHGWIPBDFWJQFG-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-2,2-dimethoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

159.12593 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 135.5
[M+Na]+ 182.115148 142.8
[M-H]- 158.118654 139.8
[M+NH4]+ 177.159753 151.3
[M+K]+ 198.089088 141.7
[M+H-H2O]+ 142.123190 129.2
[M+HCOO]- 204.124131 159.5
[M+CH3COO]- 218.139781 184.5
[M+Na-2H]- 180.100596 141.1
[M]+ 159.12538142 140.2
[M]- 159.12647858 140.2
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