CID 10855427

4-(dimethylamino)butan-2-ol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(CCN(C)C)O
InChI
InChI=1S/C6H15NO/c1-6(8)4-5-7(2)3/h6,8H,4-5H2,1-3H3
InChIKey
IXAXPXLEJPTDGO-UHFFFAOYSA-N
Compound name
4-(dimethylamino)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

208
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.122640 127.1
[M+Na]+ 140.104582 133.0
[M-H]- 116.108088 127.5
[M+NH4]+ 135.149187 149.5
[M+K]+ 156.078522 134.2
[M+H-H2O]+ 100.112624 122.4
[M+HCOO]- 162.113565 150.1
[M+CH3COO]- 176.129215 175.7
[M+Na-2H]- 138.090030 131.8
[M]+ 117.11481542 127.7
[M]- 117.11591258 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe